SCHEMBL4976812

SCHEMBL4976812

CCOc1ccsc1C(=O)N1CCc2cnc(N3CCN(C4CCC4)CC3)nc2CC1

nearest known ligand 0.42

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.42
HSP90AB1 P08238 4/20 0.40
HSP90AA1 P07900 5/20 0.40
MAPT P10636 2/20 0.38
KMT2A Q03164 1/20 0.37
KDM2B Q8NHM5 1/20 0.36
TLR4 O00206 1/20 0.36
TLR9 Q9NR96 1/20 0.36
TLR8 Q9NR97 1/20 0.36
TLR7 Q9NYK1 1/20 0.36
HCRTR1 O43613 1/20 0.36
HCRTR2 O43614 1/20 0.36
HTT P42858 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL4978440 0.87 LMNA (0.42) LMNAHSP90AB1HSP90AA1MAPTKDM2B
SCHEMBL4976177 0.85 HSP90AB1 (0.40) HSP90AB1HSP90AA1MAPTKDM2BTLR4
SCHEMBL4980633 0.85 HSP90AB1 (0.44) HSP90AB1HSP90AA1MAPTKDM2BTLR4
SCHEMBL4978905 0.85 LMNA (0.47) LMNAHSP90AB1HSP90AA1MAPTHCRTR1
SCHEMBL4975122 0.84 MAPT (0.48) LMNAHSP90AB1HSP90AA1MAPTHTT
SCHEMBL4975954 0.83 SMN1; SMN2 (0.50) LMNAHSP90AB1HSP90AA1MAPTKMT2A
SCHEMBL4976292 0.83 HPGD (0.48) LMNAHSP90AB1MAPTKMT2AKDM2B
SCHEMBL4975212 0.80 KDM2B (0.47) LMNAHSP90AB1HSP90AA1KMT2AKDM2B
SCHEMBL4976925 0.80 LMNA (0.51) LMNAHSP90AB1MAPTKMT2A
SCHEMBL4980440 0.80 KDM4E (0.49) HSP90AB1HSP90AA1MAPTKMT2AHCRTR1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080051387-A1 TETRAHYDROPYRIDO[3,4-D]PYRIMIDINES AND RELATED ANALOGUES NEUROGEN CORPORATION 2008-02-28 US disclosed
US-20080051387-A1 TETRAHYDROPYRIDO[3,4-D]PYRIMIDINES AND RELATED ANALOGUES NEUROGEN CORPORATION 2008-02-28 US disclosed
US-20080051387-A1 TETRAHYDROPYRIDO[3,4-D]PYRIMIDINES AND RELATED ANALOGUES NEUROGEN CORPORATION 2008-02-28 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20080051387-A1 TETRAHYDROPYRIDO[3,4-D]PYRIMIDINES AND RELATED ANALOGUES HRH3, HRH4, HRH2 LMNA 4534/4885HSP90AB1 2652/4885HSP90AA1 2689/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.